SCHEMBL6557939

SCHEMBL6557939

CCc1cc(C(=O)Nc2ccnc3[nH]ccc23)ccc1C(C)N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 15/20 0.68
ROCK2 O75116 5/20 0.68
ROCK1 Q13464 3/20 0.68
PRKD3 O94806 2/20 0.68
PRKACA P17612 2/20 0.68
PRKCQ Q04759 2/20 0.68
PRKCD Q05655 2/20 0.68
PKN2 Q16513 2/20 0.68
PRKD2 Q9BZL6 2/20 0.68
MAP4K4 O95819 1/20 0.68
PRKCB P05771 1/20 0.68
PRKCA P17252 1/20 0.68
CSNK2A2 P19784 1/20 0.68
MARK3 P27448 1/20 0.68
BMPR1A P36894 1/20 0.68
CSNK1A1 P48729 1/20 0.68
CLK1 P49759 1/20 0.68
GSK3A P49840 1/20 0.68
GSK3B P49841 1/20 0.68
CDK9 P50750 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6557901 0.88 CIT (0.72) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6558233 0.87 CIT (0.71) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6559995 0.86 CIT (0.69) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6559081 0.86 CIT (0.69) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6559032 0.86 CIT (0.69) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6559215 0.86 CIT (0.69) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6558063 0.86 CIT (0.69) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6560164 0.86 CIT (0.69) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL4514350 0.84 ROCK2 (0.70) CITROCK2ROCK1PRKD3PRKACA
SCHEMBL6559878 0.84 CIT (0.67) CITROCK2ROCK1PRKD3PRKACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-B1 Substituted benzamide compounds with antihypertensive activity MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-30 EP disclosed
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed